Geometry & MOs

Info

ID:	146728
PubChem CID:	53738183
Reduced:	N11O14C74H125 (1)
Stoich.:	A11B14C74D125 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-595.1
Dipole, Da:	7.94
IP(EA), eV:	-8.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(ethylamino)ethylamino]-3-(5-propylthiadiazol-4-yl)chromen-2-one

Drug info:

Smile

CCOC(=O)C1CCN(CC1)C2(C(C(C(NC2(N3CCC(CC3)CC4=CC=CC=C4)N5CCC(CC5)N6CCCCC6)(N7CC(CC(C7)C)C)N8CC(C(C(C8)O)O)CO)(N9CCC(CC9)OC)N1CC(C(C(C1CO)O)O)O)(C)N1CCC(CC1)C(=O)OC)N1CCC(CC1)C(=O)O

DOS

IR

Vibrations